Basic information
- Standard SMILES
CC1CCOC(=O)CC1- InChIKey
VNXMFQWTDCWMDQ-UHFFFAOYSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
Names & identifiers
- Preferred name
- 5-Methyloxepan-2-one
- IUPAC
- 5-methyloxepan-2-one
Names & synonyms
5-methyloxepan-2-one2549-42-02-Oxepanone, 5-methyl-gamma-methyl-epsilon-caprolactone5-methyl-2-oxepanone5-methyl-oxepan-2-one4-methyl-epsilon-caprolactoneSCHEMBL320614VNXMFQWTDCWMDQ-UHFFFAOYSA-NMFCD20527680NS00128093H61550
Database identifiers
- PubChem CID
- 11116085
- Nikkaji
- J595.491F
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 109
Related reactions
2 records
Compound notes
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